4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119426079

IUPAC4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-5-4-6-14-7-9;;/h8-9,14H,4-7H2,1-3H3,(H,16,17);2*1H
InChIKeyJPHHJIKRNWWINW-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.77
Rot. Bonds2

About 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119426079) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119426079
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)(C)c1ncsc1C(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-5-4-6-14-7-9;;/h8-9,14H,4-7H2,1-3H3,(H,16,17);2*1H
InChIKeyJPHHJIKRNWWINW-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120557762
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226
4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119551712
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119426079) is 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CC(C)(C)c1ncsc1C(=O)NC1CCCNC1.Cl.Cl.
What is the InChIKey of 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is JPHHJIKRNWWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-13(2,3)11-10(18-8-15-11)12(17)16-9-5-4-6-14-7-9;;/h8-9,14H,4-7H2,1-3H3,(H,16,17);2*1H.
What are the key properties of 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119426079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).